Basic information
- CAS
7668-31-7- Standard SMILES
O=S1(=O)N=C(N2CCOCC2)c2ccccc21- InChIKey
DHVZVUVCWXRYTA-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3S
- Average molar mass
- 252.29 g/mol
- Monoisotopic mass
- 252.05686342
Names & identifiers
- Preferred name
- 3-Morpholin-4-yl-benzo[d]isothiazole 1,1-dioxide
- IUPAC
- 3-morpholin-4-yl-1,2-benzothiazole 1,1-dioxide
Names & synonyms
7668-31-7ST510287173-(4-morpholinyl)-1,2-benzisothiazole 1,1-dioxideNSC331996Cambridge id 53154453-Morpholin-4-yl-benzo[d]isothiazole 1,1-dioxideMLS000033443SCHEMBL8437512CHEMBL1490412DTXSID50330905HMS1634C16HMS2281B10
Show more names
HMS3450H12STK133996AKOS000420009CCG-150167NSC-331996NCGC00033808-02SMR000009040AB00080343-01
Database identifiers
- CAS
7668-31-7- PubChem CID
- 433486
- DTXSID
DTXSID50330905- ChEMBL
CHEMBL1490412
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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